Geometry & MOs

Info

ID:

310083

PubChem CID:

126574014

Reduced:

FN2O5C38H49 (1)

Stoich.:

AB2C5D38E49 (1)

Weight, g/mol:

466.18311

ΔHf, kcal/mol:

-231.86

Dipole, Da:

2.99

IP(EA), eV:

 -8.35(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[4-(6-azaspiro[2.5]octan-6-yl)-5-bromo-2,6-dimethylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)CO)[C@@H](C(=O)OC(C)C)OC(C)(C)C)N2CCC3(CCC3)CC2)C4=CC=C(C=C4)OCCC5=CC=C(C=C5)F

DOS

IR

Vibrations